3a,5a,5b,8,8-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11a,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol
| Internal ID | 15fd7382-9ba7-4bf2-98bb-5206c14eabac |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives |
| IUPAC Name | 3a,5a,5b,8,8-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11a,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol |
| SMILES (Canonical) | CC(=C)C1CCC2(C1C3CCC4C5CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C |
| SMILES (Isomeric) | CC(=C)C1CCC2(C1C3CCC4C5CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C |
| InChI | InChI=1S/C29H48O/c1-18(2)19-12-14-27(5)16-17-29(7)23(25(19)27)10-9-22-20-8-11-24(30)26(3,4)21(20)13-15-28(22,29)6/h19-25,30H,1,8-17H2,2-7H3 |
| InChI Key | DXRQGUZNECLSAC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H48O |
| Molecular Weight | 412.70 g/mol |
| Exact Mass | 412.370516150 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.50 |
| There are no found synonyms. |
![2D Structure of 3a,5a,5b,8,8-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11a,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/f94747c0-86df-11ee-9f72-a33788c1c9a0.jpg "2D Structure of 3a,5a,5b,8,8-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11a,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.05% | 96.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.64% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.69% | 96.09% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 91.06% | 95.42% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.04% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.45% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.11% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.80% | 82.69% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 88.70% | 95.38% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.90% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.78% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.06% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.05% | 97.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.39% | 96.43% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 86.14% | 92.97% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 83.58% | 97.64% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.25% | 97.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.32% | 91.03% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 82.25% | 97.31% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.21% | 97.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.83% | 95.58% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.78% | 99.18% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.70% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.41% | 95.50% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.11% | 90.24% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Myrtopsis sellingii |
| PubChem | 14888883 |
| LOTUS | LTS0177823 |
| wikiData | Q104991168 |